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CAS Number: 57696-89-6
3,5,5-trimethylcyclohexane-1,2-dione

Structure

 3,5,5-trimethylcyclohexane-1,2-dione
Name: 3,5,5-trimethylcyclohexane-1,2-dione
Synonyms:
General Information
Product Number: 57696896

CAS Registry Number 57696-89-6
Name:
1,?2-?Cyclohexanedione, 3,?5,?5-?trimethyl-
3,5,5-Trimethyl-1,2-cyclohexanedione
3,5,5-Trimethylcyclohexane-1,2-dione

 

Chemical Formula: C9H14O2
Exact Mass: 154.10
Molecular Weight: 154.21
m/z: 154.10 (100.0%), 155.10 (9.8%)

 

InChI:InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3

InChI Key:WEUZZYGESXCTCU-UHFFFAOYSA-N

Canonical SMILES:CC1CC(CC(=O)C1=O)(C)C

 

Thermal Properties Value Condition Note
Melting Point 92-93 °C   (1)IC
Melting Point 91-92 °C Solv: hexane (110-54-3) (4)CAS
Melting Point 91 °C   (5)CAS

Specification

98%
References
  1. (1) Tishchenko, I. G.; Vestn. Belorus. Un-ta, Ser. 2 1979, (1), P78-9 CAPLUS
  2. (4) Asinger, Friedrich; Justus Liebigs Annalen der Chemie 1964, V672, P103-33 CAPLUS
  3. (5) Yanagita, Masaichi; Journal of Organic Chemistry 1954, V19, P1724-33 CAPLUS
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